SCHEMBL4753755

SCHEMBL4753755

O=C(Nc1ccccc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.72
KCNK9 Q9NPC2 5/20 0.72
RXFP1 Q9HBX9 1/20 0.64
F2R P25116 1/20 0.64
SGMS2 Q8NHU3 1/20 0.57
PNLIP P16233 1/20 0.57
BRAF P15056 1/20 0.56
AVPR2 P30518 1/20 0.55
GPR27 Q9NS67 1/20 0.55
KMT2A Q03164 4/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30211340 1.00 KCNK3 (0.72) KCNK3KCNK9RXFP1F2RSGMS2
Hydrochloric Acid SCHEMBL2105897 0.85 KCNK3 (0.70) KCNK3KCNK9RXFP1F2RPNLIP
SCHEMBL1197921 0.84 KCNK3 (0.73) KCNK3KCNK9RXFP1F2RPNLIP
SCHEMBL22819921 0.83 RXFP1 (0.61) KCNK3KCNK9RXFP1F2RBRAF
SCHEMBL29211148 0.83 AVPR2 (0.64) KCNK3KCNK9RXFP1F2RPNLIP
SCHEMBL173604 0.82 KCNK3 (0.56) KCNK3KCNK9RXFP1F2RBRAF
SCHEMBL2105895 0.82 KCNK3 (0.70) KCNK3KCNK9RXFP1F2RPNLIP
SCHEMBL24474002 0.82 NPC1 (0.64) KCNK3KCNK9PNLIPKMT2AUSP2
SCHEMBL30587160 0.82 NPC1 (0.64) KCNK3KCNK9PNLIPKMT2AUSP2
SCHEMBL201210 0.81 KCNK3 (0.57) KCNK3KCNK9RXFP1F2RPNLIP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271910-A Methods of providing oral care benefits using sparingly soluble calcium compounds and fluoride 强生消费者公司 2021-08-17 CN disclosed
CN-110087634-A Methods of providing oral care benefits 费丁制药联合股份有限公司 2019-08-02 CN disclosed
CN-105142601-B Oral care composition 强生消费者公司 2018-01-05 CN disclosed
CN-107530237-A Calcium-based dentifrice for enhancing the absorption rate of active ingredients 高露洁-棕榄公司 2018-01-02 CN disclosed
CN-105592892-A Compositions comprising gallates and gallamides COLGATE PALMOLIVE CO 2016-05-18 CN disclosed
CN-101128239-B Oregano oral care compositions and methods of use thereof COLGATE PALMOLIVE CO 2014-05-07 CN disclosed
WO-2008155535-A1 USE OF HALOGENATED SALICYLANILIDES FOR THE TREATMENT OF ACNE SYNTOPIX LIMITED (GB) 2008-12-24 WO disclosed
CN-101128239-A Oregano oral care compositions and methods of use thereof COLGATE PALMOLIVE CO (US) 2008-02-20 CN disclosed
CN-1794998-A Foamable pharmaceutical compositions and methods for treating a disorder STIEFEL LABORATORIES (US) 2006-06-28 CN disclosed
EP-1326580-A2 TOOTH WHITENING COMPOSITION AND METHOD EMPLOYING DICARBOXYLIC ACID WHITENING AGENT WARNER-LAMBERT COMPANY (US) 2003-07-16 EP disclosed
US-4394371-A ALKALI METAL MONOFLUOROPHOSPHATE, ALKALINE EARTH METAL ORTHOPHOSPHATE, SODDIUM TRIMETAPHOSPHATE AND PHYTIC ACID STABILIZER COLGATE-PALMOLIVE COMPANY (US) 1983-07-19 US disclosed
US-4324799-A Fungicidal thioglycolic acid anilides, processes for their manufacture and pesticidal compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
US-4180395-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1979-12-25 US disclosed
US-4110104-A Herbicidal use of aminohalopyridyloxy acids and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1978-08-29 US disclosed
US-4108629-A Herbicidal use of esters of aminohalopyridyloxy acids THE DOW CHEMICAL COMPANY (US) 1978-08-22 US disclosed
US-4066438-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1978-01-03 US disclosed
US-4010252-A POLYQUATERNARY AMMONIUM COMPOUND, DEODORANTS COLGATE-PALMOLIVE COMPANY (US) 1977-03-01 US disclosed
US-3944498-A Germicidal detergent containing a thienyliodonium salt THE DOW CHEMICAL COMPANY (US) 1976-03-16 US disclosed
US-3937831-A CHLOROMETHYL NITROPYRIDINES AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (US) 1976-02-10 US disclosed
US-3906034-A Trifluoromethyl-salicylanilides HOECHST AG 1975-09-16 US disclosed